First-principle study on the optical response of phosphorene
Jia-He Lin1,Hong Zhang1,2,*(),Xin-Lu Cheng2
1. College of Physical Science and Technology, Sichuan University, Chengdu 610065, China
2. Key Laboratory of High Energy Density Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610065, China
The optical response of phosphorene nanostructures was studied using time-dependent density functional theory (TDDFT). Compared with the absorption spectrum of graphene, that of the phosphorene nanostructure exhibits high absorbance in the ultraviolet region, which indicates a high light absorptivity. In a low-energy resonance zone, a spectral band extends to the entire near-infrared regions. When the impulse excitation polarizes in the armchair-edge direction, the low-energy plasmon in a few-layer phosphorene nanostructure shows an apparent long-range charge-transfer excitation but is significantly less pronounced along the zigzag-edge direction. The edge configuration significantly affects the absorption spectrum of monolayer phosphorene nanostructures. The armchair-edge and the zigzag-edge serve different functions in the absorption spectrum. Moreover, the absorption spectrum of the few-layer phosphorene nanostructure changes with the number of layers when the impulse excitation polarizes in the armchair-edge direction. In addition, the change in the low-energy resonance zone is significantly different from that in the high-energy resonance zone.
收稿日期: 2014-12-31
出版日期: 2015-08-17
Corresponding Author(s):
Hong Zhang
引用本文:
. [J]. Frontiers of Physics, 2015, 10(4): 107301.
Jia-He Lin, Hong Zhang, Xin-Lu Cheng. First-principle study on the optical response of phosphorene. Front. Phys. , 2015, 10(4): 107301.
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